2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide

C19H25N3O3 — CID 2092207

IUPAC2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1ccccc1)C2=O
InChIInChI=1S/C19H25N3O3/c1-13-8-10-19(11-9-13)17(24)22(18(25)21-19)12-16(23)20-14(2)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,20,23)(H,21,25)/t13?,14-,19?/m1/s1
InChIKeyXRMIZOVKZNJXEO-SHYRYGCCSA-N
MW343.43 g/mol
LogP2.36
Rot. Bonds4

About 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 2092207) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID2092207
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1ccccc1)C2=O
InChIInChI=1S/C19H25N3O3/c1-13-8-10-19(11-9-13)17(24)22(18(25)21-19)12-16(23)20-14(2)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,20,23)(H,21,25)/t13?,14-,19?/m1/s1
InChIKeyXRMIZOVKZNJXEO-SHYRYGCCSA-N
XLogP2.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide (CID 2092207) is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1ccccc1)C2=O.
What is the InChIKey of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is XRMIZOVKZNJXEO-SHYRYGCCSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-8-10-19(11-9-13)17(24)22(18(25)21-19)12-16(23)20-14(2)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,20,23)(H,21,25)/t13?,14-,19?/m1/s1.
What are the key properties of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide?
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 2092207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).